# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Te[OH]6'
_chemical_formula_sum 'H12 O6 Te'

loop_
_publ_author_name
 'D. F. Mullica'
 'J. D. Korp'
 'W. O. Milligan'
 'G. W. Beall'
 'I. Bernal'
_journal_name_full_name
;
 Acta Crystallographica Section B: Structural Science
;
_journal_volume 36
_journal_year 1980
_journal_page_first 2565
_journal_page_last 2570
_publ_Section_title
;
 Neutron structural refinement of cubic orthotelluric acid
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'Te[OH]$_{6}$ Structure'
_aflow_proto 'A12B6C_cF608_210_4h_2h_e'
_aflow_params 'a,x_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7}'
_aflow_params_values '16.4321054599,0.3771,0.0157,0.2009,0.1224,0.5287,0.1425,0.0068,0.0949,0.2596,0.2225,0.6117,0.1785,0.0224,0.0928,0.2607,0.1616,0.0194,0.0793,0.3503'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'cF608'

_cell_length_a    16.4321054599
_cell_length_b    16.4321054599
_cell_length_c    16.4321054599
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "F 41 3 2"
_symmetry_Int_Tables_number 210
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z
4 -x,-y,z
5 y,z,x
6 y,-z,-x
7 -y,z,-x
8 -y,-z,x
9 z,x,y
10 z,-x,-y
11 -z,x,-y
12 -z,-x,y
13 -y+1/4,-x+1/4,-z+1/4
14 -y+1/4,x+1/4,z+1/4
15 y+1/4,-x+1/4,z+1/4
16 y+1/4,x+1/4,-z+1/4
17 -x+1/4,-z+1/4,-y+1/4
18 -x+1/4,z+1/4,y+1/4
19 x+1/4,-z+1/4,y+1/4
20 x+1/4,z+1/4,-y+1/4
21 -z+1/4,-y+1/4,-x+1/4
22 -z+1/4,y+1/4,x+1/4
23 z+1/4,-y+1/4,x+1/4
24 z+1/4,y+1/4,-x+1/4
25 x,y+1/2,z+1/2
26 x,-y+1/2,-z+1/2
27 -x,y+1/2,-z+1/2
28 -x,-y+1/2,z+1/2
29 y,z+1/2,x+1/2
30 y,-z+1/2,-x+1/2
31 -y,z+1/2,-x+1/2
32 -y,-z+1/2,x+1/2
33 z,x+1/2,y+1/2
34 z,-x+1/2,-y+1/2
35 -z,x+1/2,-y+1/2
36 -z,-x+1/2,y+1/2
37 -y+1/4,-x+3/4,-z+3/4
38 -y+1/4,x+3/4,z+3/4
39 y+1/4,-x+3/4,z+3/4
40 y+1/4,x+3/4,-z+3/4
41 -x+1/4,-z+3/4,-y+3/4
42 -x+1/4,z+3/4,y+3/4
43 x+1/4,-z+3/4,y+3/4
44 x+1/4,z+3/4,-y+3/4
45 -z+1/4,-y+3/4,-x+3/4
46 -z+1/4,y+3/4,x+3/4
47 z+1/4,-y+3/4,x+3/4
48 z+1/4,y+3/4,-x+3/4
49 x+1/2,y,z+1/2
50 x+1/2,-y,-z+1/2
51 -x+1/2,y,-z+1/2
52 -x+1/2,-y,z+1/2
53 y+1/2,z,x+1/2
54 y+1/2,-z,-x+1/2
55 -y+1/2,z,-x+1/2
56 -y+1/2,-z,x+1/2
57 z+1/2,x,y+1/2
58 z+1/2,-x,-y+1/2
59 -z+1/2,x,-y+1/2
60 -z+1/2,-x,y+1/2
61 -y+3/4,-x+1/4,-z+3/4
62 -y+3/4,x+1/4,z+3/4
63 y+3/4,-x+1/4,z+3/4
64 y+3/4,x+1/4,-z+3/4
65 -x+3/4,-z+1/4,-y+3/4
66 -x+3/4,z+1/4,y+3/4
67 x+3/4,-z+1/4,y+3/4
68 x+3/4,z+1/4,-y+3/4
69 -z+3/4,-y+1/4,-x+3/4
70 -z+3/4,y+1/4,x+3/4
71 z+3/4,-y+1/4,x+3/4
72 z+3/4,y+1/4,-x+3/4
73 x+1/2,y+1/2,z
74 x+1/2,-y+1/2,-z
75 -x+1/2,y+1/2,-z
76 -x+1/2,-y+1/2,z
77 y+1/2,z+1/2,x
78 y+1/2,-z+1/2,-x
79 -y+1/2,z+1/2,-x
80 -y+1/2,-z+1/2,x
81 z+1/2,x+1/2,y
82 z+1/2,-x+1/2,-y
83 -z+1/2,x+1/2,-y
84 -z+1/2,-x+1/2,y
85 -y+3/4,-x+3/4,-z+1/4
86 -y+3/4,x+3/4,z+1/4
87 y+3/4,-x+3/4,z+1/4
88 y+3/4,x+3/4,-z+1/4
89 -x+3/4,-z+3/4,-y+1/4
90 -x+3/4,z+3/4,y+1/4
91 x+3/4,-z+3/4,y+1/4
92 x+3/4,z+3/4,-y+1/4
93 -z+3/4,-y+3/4,-x+1/4
94 -z+3/4,y+3/4,x+1/4
95 z+3/4,-y+3/4,x+1/4
96 z+3/4,y+3/4,-x+1/4
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Te1 Te  32 e 0.37710 0.37710 0.37710 1.00000
H1  H   96 h 0.01570 0.20090 0.12240 1.00000
H2  H   96 h 0.52870 0.14250 0.00680 1.00000
H3  H   96 h 0.09490 0.25960 0.22250 1.00000
H4  H   96 h 0.61170 0.17850 0.02240 1.00000
O1  O   96 h 0.09280 0.26070 0.16160 1.00000
O2  O   96 h 0.01940 0.07930 0.35030 1.00000
